EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WT3F2K5PF2
EPA CompTox	DTXSID90436011

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WT3F2K5PF2

EPA CompTox

DTXSID90436011


InChI Key	UEQZFAGVRGWPDK-UHFFFAOYSA-N
Smiles	Clc1ncc(cc1)CN2C(=N/CC2)N
InChI	InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)

InChI Key

UEQZFAGVRGWPDK-UHFFFAOYSA-N

Smiles

Clc1ncc(cc1)CN2C(=N/CC2)N

InChI

InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)

Property Name	Value
Molecular Formula	C9H11Cl1N4
Molecular Weight	210.07
AlogP	1.07
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	52.01
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C9H11Cl1N4

Molecular Weight

210.07

AlogP

1.07

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

52.01

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	115970-17-7
NORMAN SUSDAT
FDA SRS	WT3F2K5PF2
PubChem	10130527
ChemSpider	8306043.0

Resources

Reference

CAS NUMBER

115970-17-7

NORMAN SUSDAT

FDA SRS

WT3F2K5PF2

PubChem

10130527

ChemSpider

8306043.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DESNITRO-IMIDACLOPRID

Structure

Physicochemical Descriptors

Cross References